Geometry & MOs

Info

ID:	10779
PubChem CID:	107893
Reduced:	NNaS2O5C8H18 (1)
Stoich.:	ABC2D5E8F18 (1)
Weight, g/mol:	295.052409
ΔH_f, kcal/mol:	-250.68
Dipole, Da:	5.44
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S,3R,4R,5R)-1-[bis(sulfanyl)methyl-methylamino]-3,4,5,6-tetrahydroxyhexan-2-olate

Drug info:

PubChemData

Smile

CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)[O-])C(S)S.[Na+]

DOS

IR

Vibrations